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823-56-3 molecular structure
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3,5-dichloro-2-fluoropyridine

ChemBase ID: 93792
Molecular Formular: C5H2Cl2FN
Molecular Mass: 165.9804832
Monoisotopic Mass: 164.95483265
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Cl)Cl)F
Canonical SMILES:
Clc1cnc(c(c1)Cl)F
InChI:
InChI=1S/C5H2Cl2FN/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey:
FHQWUIZMJXPGRG-UHFFFAOYSA-N

Cite this record

CBID:93792 http://www.chembase.cn/molecule-93792.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-dichloro-2-fluoropyridine
IUPAC Traditional name
3,5-dichloro-2-fluoropyridine
Synonyms
3,5-Dichloro-2-fluoropyridine
3,5-Dichloro-2-fluoropyridine
2-Fluoro-3,5-dichloropyridine
3,5-二氯-2-氟吡啶
CAS Number
823-56-3
EC Number
000-000-0
MDL Number
MFCD04039349
Beilstein Number
1365267
PubChem SID
162080458
PubChem CID
2783256

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5002954  LogD (pH = 7.4) 2.5002954 
Log P 2.5002954  Molar Refractivity 34.7418 cm3
Polarizability 13.110845 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
41-43°C expand Show data source
41-43°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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